2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide

C14H20N4O2S2 — CID 3860092

IUPAC2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCSc1nc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nn1C
InChIInChI=1S/C14H20N4O2S2/c1-8-7-9(2)11(4)12(10(8)3)22(19,20)17-13-15-14(21-6)18(5)16-13/h7H,1-6H3,(H,16,17)
InChIKeyGDOWFTCWYAQAEW-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.57
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 3860092) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID3860092
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCSc1nc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nn1C
InChIInChI=1S/C14H20N4O2S2/c1-8-7-9(2)11(4)12(10(8)3)22(19,20)17-13-15-14(21-6)18(5)16-13/h7H,1-6H3,(H,16,17)
InChIKeyGDOWFTCWYAQAEW-UHFFFAOYSA-N
XLogP2.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 3860092) is 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide is CSc1nc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nn1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is GDOWFTCWYAQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-8-7-9(2)11(4)12(10(8)3)22(19,20)17-13-15-14(21-6)18(5)16-13/h7H,1-6H3,(H,16,17).
What are the key properties of 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 3860092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).